Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf [V600E]' and Ligand = 'BDBM435711'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM435711 (US10570155, Compound 1II | US11332479, Compound 1I...) Show SMILES CN1CCN(CCNc2nccc(n2)-c2c(nc3occn23)-c2cccc(O)c2)S1(=O)=O Show InChI InChI=1S/C20H21N7O4S/c1-25-9-10-26(32(25,29)30)8-7-22-19-21-6-5-16(23-19)18-17(14-3-2-4-15(28)13-14)24-20-27(18)11-12-31-20/h2-6,11-13,28H,7-10H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.85	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ93MQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM435711 (US10570155, Compound 1II | US11332479, Compound 1I...) Show SMILES CN1CCN(CCNc2nccc(n2)-c2c(nc3occn23)-c2cccc(O)c2)S1(=O)=O Show InChI InChI=1S/C20H21N7O4S/c1-25-9-10-26(32(25,29)30)8-7-22-19-21-6-5-16(23-19)18-17(14-3-2-4-15(28)13-14)24-20-27(18)11-12-31-20/h2-6,11-13,28H,7-10H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.85	n/a	n/a	n/a	n/a	n/a	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				US Patent US10570155 (2020) BindingDB Entry DOI: 10.7270/Q2N300B1
					More data for this Ligand-Target Pair